2,5-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 317868
• Molecular Formular: C15H19N5S
• Molecular Mass: 301.40986
• Monoisotopic Mass: 301.13611663
• SMILES: n12c(nc(cc1NCc1nc(sc1)CCC)C)cc(n2)C
• Canonical SMILES: CCCc1scc(n1)CNc1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C15H19N5S/c1-4-5-15-18-12(9-21-15)8-16-13-6-10(2)17-14-7-11(3)19-20(13)14/h6-7,9,16H,4-5,8H2,1-3H3
• InChIKey: RYZQPVLPNUBCPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,5-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,5-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2095656
• LogD (pH = 7.4): 2.210675
• Log P: 2.210689
• Molar Refractivity: 95.3711 cm^3
• Polarizability: 31.70865 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.07
• LOG S: -4.02
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5